Geometry & MOs

Info

ID:	264472
PubChem CID:	103463510
Reduced:	SN2O2C14H24 (1)
Stoich.:	AB2C2D14E24 (1)
Weight, g/mol:	257.05276
ΔH_f, kcal/mol:	-101.58
Dipole, Da:	8.18
IP(EA), eV:	-8.72(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(2,2-dimethylbutyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)(C)CN1C(=CN=C1SCC(=O)O)C(C)C

DOS

IR

Vibrations